Information card for entry 2243597

Structure parameters

• Chemical name: 6-Azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranose
• Formula: C9 H15 N3 O5
• Calculated formula: C9 H15 N3 O5
• SMILES: C([C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(C)(C)O2)O)O)N=N#N
• Title of publication: Crystal structure of 6-azido-6-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranose
• Authors of publication: Wood, Adam; Bernhardt, Paul V.; van Altena, Ian; Simone, Michela I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 10
• Pages of publication: 1653 - 1656
• a: 5.7615 ± 0.0004 Å
• b: 9.7752 ± 0.0008 Å
• c: 10.6833 ± 0.0009 Å
• α: 90°
• β: 101.255 ± 0.008°
• γ: 90°
• Cell volume: 590.11 ± 0.08 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes